Geometry & MOs

Info

ID:	318058
PubChem CID:	126648756
Reduced:	O3N4H14C16 (1)
Stoich.:	A3B4C14D16 (1)
Weight, g/mol:	387.159434
ΔH_f, kcal/mol:	55.23
Dipole, Da:	4.34
IP(EA), eV:	-9.62(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-N-(2-ethoxycyclopropyl)-3-N-[(3-fluorophenyl)methyl]-3-N-methyl-2-oxo-1H-pyridine-3,5-dicarboxamide

Drug info:

PubChemData

Smile

C1CC(C1)N(C2=NOC=N2)C(=O)C3=NOC(=C3)C4=CC=CC=C4

DOS

IR

Vibrations